Tuesday, September 24 2024 07:23:53
UNRES
159.40s
Show Command Line
Show Test Time Graph
Show Failing/Passing Graph
CTEST_FULL_OUTPUT
CTEST_FULL_OUTPUT
CTEST_FULL_OUTPUT
CTEST_FULL_OUTPUT
--------------------------------------------------------------------------
The library attempted to open the following supporting CUDA libraries,
but each of them failed. CUDA-aware support is disabled.
libcuda.so.1: cannot open shared object file: No such file or directory
/usr/lib64/libcuda.so.1: cannot open shared object file: No such file or directory
If you are not interested in CUDA-aware support, then run with
--mca mpi_cuda_support 0 to suppress this message. If you are interested
in CUDA-aware support, then try setting LD_LIBRARY_PATH to the location
of libcuda.so.1 to get passed this issue.
--------------------------------------------------------------------------
Processor 1 out of 4 rank in CG_COMM 1
size of CG_COMM 4 size of FG_COMM 1 rank in FG_COMM1
0 size of FG_COMM1 1
Processor 0 out of 4 rank in CG_COMM 0
size of CG_COMM 4 size of FG_COMM 1 rank in FG_COMM1
0 size of FG_COMM1 1
Processor 2 out of 4 rank in CG_COMM 2
size of CG_COMM 4 size of FG_COMM 1 rank in FG_COMM1
0 size of FG_COMM1 1
Processor 3 out of 4 rank in CG_COMM 3
size of CG_COMM 4 size of FG_COMM 1 rank in FG_COMM1
0 size of FG_COMM1 1
Inside initializeInside initializeInside initializeInside initialize MPI: node= 1 iseed= -6119485
MPI: node= 3 iseed= -12238971
MPI: node= 2 iseed= -9179228
MPI: node= 0 iseed= -3059742
indpdb= 0 pdbref= F
indpdb= 0 pdbref= F
Call Read_Bridge.
ns= 0
Call Read_Bridge.
ns= 0
Processor 3 0 0 ivec_start 1
ivec_end 21
Processor 1 0 0 ivec_start 1
ivec_end 21
indpdb= 0 pdbref= F
indpdb= 0 pdbref= F
Call Read_Bridge.
ns= 0
Call Read_Bridge.
ns= 0
Processor 2 0 0 ivec_start 1
ivec_end 21
Processor 0 0 0 ivec_start 1
ivec_end 21
Exitted from make_ranvar nconfr= 100
FEEDIN: NCONF= 100
UPDATING 97 97
[dell15:119220] 3 more processes have sent help message help-mpi-common-cuda.txt / dlopen failed
[dell15:119220] Set MCA parameter "orte_base_help_aggregate" to 0 to see all help / error messages
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
End of minim, proc 3 time 59.00485396385193
End of minim, proc 2 time 59.00487089157104
End of cycle, master time for 45 iters 59.00793600082397
sec, Eval/s 14561.10920381967
End of minim, proc 1 time 59.01206207275391
UPDATING 3 4
Exitted from make_ranvar nconfr= 100
FEEDIN: NCONF= 100
UPDATING 97 97
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
End of minim, proc 3 time 87.92329096794128
End of minim, proc 1 time 87.92881608009338
End of cycle, master time for 20 iters 25.89941596984863
sec, Eval/s 15059.25849656445
End of minim, proc 2 time 87.93055605888367
UPDATING 3 4
Exitted from make_ranvar nconfr= 100
FEEDIN: NCONF= 100
UPDATING 97 97
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
End of minim, proc 2 time 118.9123308658600
End of cycle, master time for 21 iters 27.90452194213867
sec, Eval/s 15072.86169862131
End of minim, proc 1 time 118.9124031066895
End of minim, proc 3 time 118.9124021530151
UPDATING 3 4
Exitted from make_ranvar nconfr= 100
FEEDIN: NCONF= 100
UPDATING 97 97
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
End of minim, proc 2 time 156.0440299510956
End of cycle, master time for 23 iters 34.11616992950439
sec, Eval/s 13569.51852909021
End of minim, proc 3 time 156.0440859794617
End of minim, proc 1 time 156.0440869331360
UPDATING 3 4
End of RUN, master time 156.0571141242981 sec, Eval/s
14537.22255938330
CG processor 2 is finishing work.
CG processor 0 is finishing work.
CG processor 1 is finishing work.
CG processor 3 is finishing work.
Warning: ieee_invalid is signaling
Warning: ieee_overflow is signaling
Warning: ieee_underflow is signaling
Warning: ieee_inexact is signaling
Bye Bye...
Warning: ieee_invalid is signaling
Warning: ieee_overflow is signaling
Warning: ieee_underflow is signaling
Warning: ieee_inexact is signaling
Bye Bye...
Warning: ieee_invalid is signaling
Warning: ieee_overflow is signaling
Warning: ieee_underflow is signaling
Warning: ieee_inexact is signaling
Bye Bye...
Warning: ieee_invalid is signaling
Warning: ieee_overflow is signaling
Warning: ieee_underflow is signaling
Warning: ieee_inexact is signaling
Bye Bye...
Emin= -200.00120
Emin= -200.00120
Emin= -200.00120
Emin= -200.00120
difference .13366 from reference emin -200.13486
difference .13366 from reference emin -200.13486
difference .13366 from reference emin -200.13486
difference .13366 from reference emin -200.13486
1l2y_csa_local_4P@001.pdb:REMARK GM 1 e 5513 m 1 rms 2.63 %NC 46.7 ENERGY -1.66323E+02
1l2y_csa_local_4P@002.pdb:REMARK GM 2 e 6239 m 2 rms 2.38 %NC 46.7 ENERGY -1.87312E+02
1l2y_csa_local_4P@003.pdb:REMARK GM 3 e 19537 m 5 rms 3.48 %NC 46.7 ENERGY -1.87711E+02
1l2y_csa_local_4P@004.pdb:REMARK GM 4 e 52555 m 20 rms 2.40 %NC 46.7 ENERGY -1.87758E+02
1l2y_csa_local_4P@005.pdb:REMARK GM 5 e 64129 m 50 rms 2.46 %NC 46.7 ENERGY -1.87972E+02
1l2y_csa_local_4P@006.pdb:REMARK GM 6 e 77487 m 78 rms 2.46 %NC 46.7 ENERGY -1.87972E+02
1l2y_csa_local_4P@007.pdb:REMARK GM 7 e 77615 m 79 rms 2.46 %NC 46.7 ENERGY -1.87972E+02
1l2y_csa_local_4P@008.pdb:REMARK GM 8 e 80526 m 89 rms 2.46 %NC 46.7 ENERGY -1.87972E+02
1l2y_csa_local_4P@009.pdb:REMARK GM 9 e 85425 m 106 rms 2.46 %NC 46.7 ENERGY -1.88323E+02
1l2y_csa_local_4P@010.pdb:REMARK GM 10 e 93504 m 136 rms 2.47 %NC 46.7 ENERGY -1.88418E+02
1l2y_csa_local_4P@011.pdb:REMARK GM 11 e 107339 m 187 rms 2.62 %NC 46.7 ENERGY -1.88657E+02
1l2y_csa_local_4P@012.pdb:REMARK GM 12 e 132118 m 254 rms 2.30 %NC 46.7 ENERGY -1.88697E+02
1l2y_csa_local_4P@013.pdb:REMARK GM 13 e 132987 m 258 rms 2.50 %NC 46.7 ENERGY -1.89893E+02
1l2y_csa_local_4P@014.pdb:REMARK GM 14 e 144033 m 295 rms 2.50 %NC 46.7 ENERGY -1.89895E+02
1l2y_csa_local_4P@015.pdb:REMARK GM 15 e 154033 m 318 rms 2.50 %NC 46.7 ENERGY -1.89896E+02
1l2y_csa_local_4P@016.pdb:REMARK GM 16 e 161143 m 347 rms 2.50 %NC 46.7 ENERGY -1.89896E+02
1l2y_csa_local_4P@017.pdb:REMARK GM 17 e 164298 m 361 rms 2.51 %NC 53.3 ENERGY -1.90304E+02
1l2y_csa_local_4P@018.pdb:REMARK GM 18 e 191960 m 444 rms 2.51 %NC 46.7 ENERGY -1.90305E+02
1l2y_csa_local_4P@019.pdb:REMARK GM 19 e 192414 m 446 rms 2.92 %NC 46.7 ENERGY -1.91683E+02
1l2y_csa_local_4P@020.pdb:REMARK GM 20 e 194890 m 454 rms 2.51 %NC 46.7 ENERGY -1.94878E+02
1l2y_csa_local_4P@021.pdb:REMARK GM 21 e 202045 m 479 rms 2.51 %NC 46.7 ENERGY -1.94880E+02
1l2y_csa_local_4P@022.pdb:REMARK GM 22 e 211609 m 504 rms 2.51 %NC 46.7 ENERGY -1.94880E+02
1l2y_csa_local_4P@023.pdb:REMARK GM 23 e 215497 m 520 rms 2.51 %NC 46.7 ENERGY -1.94880E+02
1l2y_csa_local_4P@024.pdb:REMARK GM 24 e 219881 m 531 rms 2.51 %NC 46.7 ENERGY -1.94880E+02
1l2y_csa_local_4P@025.pdb:REMARK GM 25 e 249394 m 624 rms 2.52 %NC 46.7 ENERGY -1.95741E+02
1l2y_csa_local_4P@026.pdb:REMARK GM 26 e 263573 m 673 rms 2.23 %NC 46.7 ENERGY -1.98966E+02
1l2y_csa_local_4P@027.pdb:REMARK GM 27 e 289362 m 758 rms 2.23 %NC 46.7 ENERGY -1.98967E+02
1l2y_csa_local_4P@028.pdb:REMARK GM 28 e 293091 m 771 rms 2.23 %NC 46.7 ENERGY -1.98967E+02
1l2y_csa_local_4P@029.pdb:REMARK GM 29 e 293311 m 772 rms 2.23 %NC 46.7 ENERGY -1.98967E+02
1l2y_csa_local_4P@030.pdb:REMARK GM 30 e 296276 m 781 rms 2.23 %NC 46.7 ENERGY -1.98967E+02
1l2y_csa_local_4P@031.pdb:REMARK GM 31 e 309023 m 814 rms 2.55 %NC 46.7 ENERGY -1.99017E+02
1l2y_csa_local_4P@032.pdb:REMARK GM 32 e 334069 m 899 rms 2.55 %NC 46.7 ENERGY -1.99018E+02
1l2y_csa_local_4P@033.pdb:REMARK GM 33 e 336703 m 913 rms 2.55 %NC 46.7 ENERGY -1.99019E+02
1l2y_csa_local_4P@034.pdb:REMARK GM 34 e 344226 m 940 rms 2.55 %NC 46.7 ENERGY -1.99071E+02
1l2y_csa_local_4P@035.pdb:REMARK GM 35 e 357902 m 993 rms 2.55 %NC 46.7 ENERGY -1.99072E+02
1l2y_csa_local_4P@036.pdb:REMARK GM 36 e 372739 m 1045 rms 2.55 %NC 46.7 ENERGY -1.99072E+02
1l2y_csa_local_4P@037.pdb:REMARK GM 37 e 410399 m 1186 rms 2.55 %NC 46.7 ENERGY -1.99072E+02
1l2y_csa_local_4P@038.pdb:REMARK GM 38 e 486469 m 1431 rms 2.55 %NC 46.7 ENERGY -1.99072E+02
1l2y_csa_local_4P@039.pdb:REMARK GM 39 e 563120 m 1664 rms 2.55 %NC 46.7 ENERGY -1.99072E+02
1l2y_csa_local_4P@040.pdb:REMARK GM 40 e 567628 m 1680 rms 2.55 %NC 46.7 ENERGY -1.99072E+02
1l2y_csa_local_4P@041.pdb:REMARK GM 41 e 718509 m 2181 rms 2.13 %NC 53.3 ENERGY -1.99555E+02
1l2y_csa_local_4P@042.pdb:REMARK GM 42 e 733838 m 2244 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@043.pdb:REMARK GM 43 e 734270 m 2245 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@044.pdb:REMARK GM 44 e 749880 m 2301 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@045.pdb:REMARK GM 45 e 825734 m 2596 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@046.pdb:REMARK GM 46 e 834492 m 2627 rms 3.29 %NC 46.7 ENERGY -1.99932E+02
1l2y_csa_local_4P@047.pdb:REMARK GM 47 e 834654 m 2628 rms 3.32 %NC 46.7 ENERGY -1.99990E+02
1l2y_csa_local_4P@048.pdb:REMARK GM 48 e 855117 m 2704 rms 3.33 %NC 46.7 ENERGY -1.99990E+02
1l2y_csa_local_4P@049.pdb:REMARK GM 49 e 862601 m 2728 rms 3.32 %NC 46.7 ENERGY -1.99990E+02
1l2y_csa_local_4P@050.pdb:REMARK GM 50 e 884500 m 2809 rms 3.32 %NC 46.7 ENERGY -1.99990E+02
1l2y_csa_local_4P@051.pdb:REMARK GM 51 e 969941 m 2932 rms 3.32 %NC 46.7 ENERGY -1.99990E+02
1l2y_csa_local_4P@052.pdb:REMARK GM 52 e 1049839 m 3173 rms 3.32 %NC 46.7 ENERGY -1.99990E+02
1l2y_csa_local_4P@053.pdb:REMARK GM 53 e 1791909 m 5102 rms 3.28 %NC 46.7 ENERGY -1.99997E+02
1l2y_csa_local_4P@054.pdb:REMARK GM 54 e 1910416 m 5303 rms 3.28 %NC 46.7 ENERGY -2.00001E+02
1l2y_csa_local_4P@055.pdb:REMARK GM 55 e 1913638 m 5314 rms 3.28 %NC 46.7 ENERGY -2.00001E+02
1l2y_csa_local_4P@056.pdb:REMARK GM 56 e 1934618 m 5383 rms 3.28 %NC 46.7 ENERGY -2.00001E+02
1l2y_csa_local_4P@001.pdb:REMARK GM 1 e 5513 m 1 rms 2.63 %NC 46.7 ENERGY -1.66323E+02
1l2y_csa_local_4P@002.pdb:REMARK GM 2 e 6239 m 2 rms 2.38 %NC 46.7 ENERGY -1.87312E+02
1l2y_csa_local_4P@003.pdb:REMARK GM 3 e 19537 m 5 rms 3.48 %NC 46.7 ENERGY -1.87711E+02
1l2y_csa_local_4P@004.pdb:REMARK GM 4 e 52555 m 20 rms 2.40 %NC 46.7 ENERGY -1.87758E+02
1l2y_csa_local_4P@005.pdb:REMARK GM 5 e 64129 m 50 rms 2.46 %NC 46.7 ENERGY -1.87972E+02
1l2y_csa_local_4P@006.pdb:REMARK GM 6 e 77487 m 78 rms 2.46 %NC 46.7 ENERGY -1.87972E+02
1l2y_csa_local_4P@007.pdb:REMARK GM 7 e 77615 m 79 rms 2.46 %NC 46.7 ENERGY -1.87972E+02
1l2y_csa_local_4P@008.pdb:REMARK GM 8 e 80526 m 89 rms 2.46 %NC 46.7 ENERGY -1.87972E+02
1l2y_csa_local_4P@009.pdb:REMARK GM 9 e 85425 m 106 rms 2.46 %NC 46.7 ENERGY -1.88323E+02
1l2y_csa_local_4P@010.pdb:REMARK GM 10 e 93504 m 136 rms 2.47 %NC 46.7 ENERGY -1.88418E+02
1l2y_csa_local_4P@011.pdb:REMARK GM 11 e 107339 m 187 rms 2.62 %NC 46.7 ENERGY -1.88657E+02
1l2y_csa_local_4P@012.pdb:REMARK GM 12 e 132118 m 254 rms 2.30 %NC 46.7 ENERGY -1.88697E+02
1l2y_csa_local_4P@013.pdb:REMARK GM 13 e 132987 m 258 rms 2.50 %NC 46.7 ENERGY -1.89893E+02
1l2y_csa_local_4P@014.pdb:REMARK GM 14 e 144033 m 295 rms 2.50 %NC 46.7 ENERGY -1.89895E+02
1l2y_csa_local_4P@015.pdb:REMARK GM 15 e 154033 m 318 rms 2.50 %NC 46.7 ENERGY -1.89896E+02
1l2y_csa_local_4P@016.pdb:REMARK GM 16 e 161143 m 347 rms 2.50 %NC 46.7 ENERGY -1.89896E+02
1l2y_csa_local_4P@017.pdb:REMARK GM 17 e 164298 m 361 rms 2.51 %NC 53.3 ENERGY -1.90304E+02
1l2y_csa_local_4P@018.pdb:REMARK GM 18 e 191960 m 444 rms 2.51 %NC 46.7 ENERGY -1.90305E+02
1l2y_csa_local_4P@019.pdb:REMARK GM 19 e 192414 m 446 rms 2.92 %NC 46.7 ENERGY -1.91683E+02
1l2y_csa_local_4P@020.pdb:REMARK GM 20 e 194890 m 454 rms 2.51 %NC 46.7 ENERGY -1.94878E+02
1l2y_csa_local_4P@021.pdb:REMARK GM 21 e 202045 m 479 rms 2.51 %NC 46.7 ENERGY -1.94880E+02
1l2y_csa_local_4P@022.pdb:REMARK GM 22 e 211609 m 504 rms 2.51 %NC 46.7 ENERGY -1.94880E+02
1l2y_csa_local_4P@023.pdb:REMARK GM 23 e 215497 m 520 rms 2.51 %NC 46.7 ENERGY -1.94880E+02
1l2y_csa_local_4P@024.pdb:REMARK GM 24 e 219881 m 531 rms 2.51 %NC 46.7 ENERGY -1.94880E+02
1l2y_csa_local_4P@025.pdb:REMARK GM 25 e 249394 m 624 rms 2.52 %NC 46.7 ENERGY -1.95741E+02
1l2y_csa_local_4P@026.pdb:REMARK GM 26 e 263573 m 673 rms 2.23 %NC 46.7 ENERGY -1.98966E+02
1l2y_csa_local_4P@027.pdb:REMARK GM 27 e 289362 m 758 rms 2.23 %NC 46.7 ENERGY -1.98967E+02
1l2y_csa_local_4P@028.pdb:REMARK GM 28 e 293091 m 771 rms 2.23 %NC 46.7 ENERGY -1.98967E+02
1l2y_csa_local_4P@029.pdb:REMARK GM 29 e 293311 m 772 rms 2.23 %NC 46.7 ENERGY -1.98967E+02
1l2y_csa_local_4P@030.pdb:REMARK GM 30 e 296276 m 781 rms 2.23 %NC 46.7 ENERGY -1.98967E+02
1l2y_csa_local_4P@031.pdb:REMARK GM 31 e 309023 m 814 rms 2.55 %NC 46.7 ENERGY -1.99017E+02
1l2y_csa_local_4P@032.pdb:REMARK GM 32 e 334069 m 899 rms 2.55 %NC 46.7 ENERGY -1.99018E+02
1l2y_csa_local_4P@033.pdb:REMARK GM 33 e 336703 m 913 rms 2.55 %NC 46.7 ENERGY -1.99019E+02
1l2y_csa_local_4P@034.pdb:REMARK GM 34 e 344226 m 940 rms 2.55 %NC 46.7 ENERGY -1.99071E+02
1l2y_csa_local_4P@035.pdb:REMARK GM 35 e 357902 m 993 rms 2.55 %NC 46.7 ENERGY -1.99072E+02
1l2y_csa_local_4P@036.pdb:REMARK GM 36 e 372739 m 1045 rms 2.55 %NC 46.7 ENERGY -1.99072E+02
1l2y_csa_local_4P@037.pdb:REMARK GM 37 e 410399 m 1186 rms 2.55 %NC 46.7 ENERGY -1.99072E+02
1l2y_csa_local_4P@038.pdb:REMARK GM 38 e 486469 m 1431 rms 2.55 %NC 46.7 ENERGY -1.99072E+02
1l2y_csa_local_4P@039.pdb:REMARK GM 39 e 563120 m 1664 rms 2.55 %NC 46.7 ENERGY -1.99072E+02
1l2y_csa_local_4P@040.pdb:REMARK GM 40 e 567628 m 1680 rms 2.55 %NC 46.7 ENERGY -1.99072E+02
1l2y_csa_local_4P@041.pdb:REMARK GM 41 e 718509 m 2181 rms 2.13 %NC 53.3 ENERGY -1.99555E+02
1l2y_csa_local_4P@042.pdb:REMARK GM 42 e 733838 m 2244 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@043.pdb:REMARK GM 43 e 734270 m 2245 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@044.pdb:REMARK GM 44 e 749880 m 2301 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@045.pdb:REMARK GM 45 e 825734 m 2596 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@046.pdb:REMARK GM 46 e 834492 m 2627 rms 3.29 %NC 46.7 ENERGY -1.99932E+02
1l2y_csa_local_4P@047.pdb:REMARK GM 47 e 834654 m 2628 rms 3.32 %NC 46.7 ENERGY -1.99990E+02
1l2y_csa_local_4P@048.pdb:REMARK GM 48 e 855117 m 2704 rms 3.33 %NC 46.7 ENERGY -1.99990E+02
1l2y_csa_local_4P@049.pdb:REMARK GM 49 e 862601 m 2728 rms 3.32 %NC 46.7 ENERGY -1.99990E+02
1l2y_csa_local_4P@050.pdb:REMARK GM 50 e 884500 m 2809 rms 3.32 %NC 46.7 ENERGY -1.99990E+02
1l2y_csa_local_4P@051.pdb:REMARK GM 51 e 969941 m 2932 rms 3.32 %NC 46.7 ENERGY -1.99990E+02
1l2y_csa_local_4P@052.pdb:REMARK GM 52 e 1049839 m 3173 rms 3.32 %NC 46.7 ENERGY -1.99990E+02
1l2y_csa_local_4P@053.pdb:REMARK GM 53 e 1791909 m 5102 rms 3.28 %NC 46.7 ENERGY -1.99997E+02
1l2y_csa_local_4P@054.pdb:REMARK GM 54 e 1910416 m 5303 rms 3.28 %NC 46.7 ENERGY -2.00001E+02
1l2y_csa_local_4P@001.pdb:REMARK GM 1 e 5513 m 1 rms 2.63 %NC 46.7 ENERGY -1.66323E+02
1l2y_csa_local_4P@055.pdb:REMARK GM 55 e 1913638 m 5314 rms 3.28 %NC 46.7 ENERGY -2.00001E+02
1l2y_csa_local_4P@056.pdb:REMARK GM 56 e 1934618 m 5383 rms 3.28 %NC 46.7 ENERGY -2.00001E+02
1l2y_csa_local_4P@002.pdb:REMARK GM 2 e 6239 m 2 rms 2.38 %NC 46.7 ENERGY -1.87312E+02
1l2y_csa_local_4P@003.pdb:REMARK GM 3 e 19537 m 5 rms 3.48 %NC 46.7 ENERGY -1.87711E+02
1l2y_csa_local_4P@004.pdb:REMARK GM 4 e 52555 m 20 rms 2.40 %NC 46.7 ENERGY -1.87758E+02
1l2y_csa_local_4P@005.pdb:REMARK GM 5 e 64129 m 50 rms 2.46 %NC 46.7 ENERGY -1.87972E+02
1l2y_csa_local_4P@006.pdb:REMARK GM 6 e 77487 m 78 rms 2.46 %NC 46.7 ENERGY -1.87972E+02
1l2y_csa_local_4P@007.pdb:REMARK GM 7 e 77615 m 79 rms 2.46 %NC 46.7 ENERGY -1.87972E+02
1l2y_csa_local_4P@008.pdb:REMARK GM 8 e 80526 m 89 rms 2.46 %NC 46.7 ENERGY -1.87972E+02
1l2y_csa_local_4P@009.pdb:REMARK GM 9 e 85425 m 106 rms 2.46 %NC 46.7 ENERGY -1.88323E+02
1l2y_csa_local_4P@010.pdb:REMARK GM 10 e 93504 m 136 rms 2.47 %NC 46.7 ENERGY -1.88418E+02
1l2y_csa_local_4P@011.pdb:REMARK GM 11 e 107339 m 187 rms 2.62 %NC 46.7 ENERGY -1.88657E+02
1l2y_csa_local_4P@012.pdb:REMARK GM 12 e 132118 m 254 rms 2.30 %NC 46.7 ENERGY -1.88697E+02
1l2y_csa_local_4P@013.pdb:REMARK GM 13 e 132987 m 258 rms 2.50 %NC 46.7 ENERGY -1.89893E+02
1l2y_csa_local_4P@014.pdb:REMARK GM 14 e 144033 m 295 rms 2.50 %NC 46.7 ENERGY -1.89895E+02
1l2y_csa_local_4P@015.pdb:REMARK GM 15 e 154033 m 318 rms 2.50 %NC 46.7 ENERGY -1.89896E+02
1l2y_csa_local_4P@016.pdb:REMARK GM 16 e 161143 m 347 rms 2.50 %NC 46.7 ENERGY -1.89896E+02
1l2y_csa_local_4P@017.pdb:REMARK GM 17 e 164298 m 361 rms 2.51 %NC 53.3 ENERGY -1.90304E+02
1l2y_csa_local_4P@018.pdb:REMARK GM 18 e 191960 m 444 rms 2.51 %NC 46.7 ENERGY -1.90305E+02
1l2y_csa_local_4P@019.pdb:REMARK GM 19 e 192414 m 446 rms 2.92 %NC 46.7 ENERGY -1.91683E+02
1l2y_csa_local_4P@020.pdb:REMARK GM 20 e 194890 m 454 rms 2.51 %NC 46.7 ENERGY -1.94878E+02
1l2y_csa_local_4P@021.pdb:REMARK GM 21 e 202045 m 479 rms 2.51 %NC 46.7 ENERGY -1.94880E+02
1l2y_csa_local_4P@022.pdb:REMARK GM 22 e 211609 m 504 rms 2.51 %NC 46.7 ENERGY -1.94880E+02
1l2y_csa_local_4P@023.pdb:REMARK GM 23 e 215497 m 520 rms 2.51 %NC 46.7 ENERGY -1.94880E+02
1l2y_csa_local_4P@024.pdb:REMARK GM 24 e 219881 m 531 rms 2.51 %NC 46.7 ENERGY -1.94880E+02
1l2y_csa_local_4P@025.pdb:REMARK GM 25 e 249394 m 624 rms 2.52 %NC 46.7 ENERGY -1.95741E+02
1l2y_csa_local_4P@026.pdb:REMARK GM 26 e 263573 m 673 rms 2.23 %NC 46.7 ENERGY -1.98966E+02
1l2y_csa_local_4P@027.pdb:REMARK GM 27 e 289362 m 758 rms 2.23 %NC 46.7 ENERGY -1.98967E+02
1l2y_csa_local_4P@028.pdb:REMARK GM 28 e 293091 m 771 rms 2.23 %NC 46.7 ENERGY -1.98967E+02
1l2y_csa_local_4P@029.pdb:REMARK GM 29 e 293311 m 772 rms 2.23 %NC 46.7 ENERGY -1.98967E+02
1l2y_csa_local_4P@001.pdb:REMARK GM 1 e 5513 m 1 rms 2.63 %NC 46.7 ENERGY -1.66323E+02
1l2y_csa_local_4P@030.pdb:REMARK GM 30 e 296276 m 781 rms 2.23 %NC 46.7 ENERGY -1.98967E+02
1l2y_csa_local_4P@002.pdb:REMARK GM 2 e 6239 m 2 rms 2.38 %NC 46.7 ENERGY -1.87312E+02
1l2y_csa_local_4P@031.pdb:REMARK GM 31 e 309023 m 814 rms 2.55 %NC 46.7 ENERGY -1.99017E+02
1l2y_csa_local_4P@003.pdb:REMARK GM 3 e 19537 m 5 rms 3.48 %NC 46.7 ENERGY -1.87711E+02
1l2y_csa_local_4P@032.pdb:REMARK GM 32 e 334069 m 899 rms 2.55 %NC 46.7 ENERGY -1.99018E+02
1l2y_csa_local_4P@033.pdb:REMARK GM 33 e 336703 m 913 rms 2.55 %NC 46.7 ENERGY -1.99019E+02
1l2y_csa_local_4P@004.pdb:REMARK GM 4 e 52555 m 20 rms 2.40 %NC 46.7 ENERGY -1.87758E+02
1l2y_csa_local_4P@034.pdb:REMARK GM 34 e 344226 m 940 rms 2.55 %NC 46.7 ENERGY -1.99071E+02
1l2y_csa_local_4P@035.pdb:REMARK GM 35 e 357902 m 993 rms 2.55 %NC 46.7 ENERGY -1.99072E+02
1l2y_csa_local_4P@005.pdb:REMARK GM 5 e 64129 m 50 rms 2.46 %NC 46.7 ENERGY -1.87972E+02
1l2y_csa_local_4P@036.pdb:REMARK GM 36 e 372739 m 1045 rms 2.55 %NC 46.7 ENERGY -1.99072E+02
1l2y_csa_local_4P@006.pdb:REMARK GM 6 e 77487 m 78 rms 2.46 %NC 46.7 ENERGY -1.87972E+02
1l2y_csa_local_4P@037.pdb:REMARK GM 37 e 410399 m 1186 rms 2.55 %NC 46.7 ENERGY -1.99072E+02
1l2y_csa_local_4P@038.pdb:REMARK GM 38 e 486469 m 1431 rms 2.55 %NC 46.7 ENERGY -1.99072E+02
1l2y_csa_local_4P@007.pdb:REMARK GM 7 e 77615 m 79 rms 2.46 %NC 46.7 ENERGY -1.87972E+02
1l2y_csa_local_4P@039.pdb:REMARK GM 39 e 563120 m 1664 rms 2.55 %NC 46.7 ENERGY -1.99072E+02
1l2y_csa_local_4P@040.pdb:REMARK GM 40 e 567628 m 1680 rms 2.55 %NC 46.7 ENERGY -1.99072E+02
1l2y_csa_local_4P@008.pdb:REMARK GM 8 e 80526 m 89 rms 2.46 %NC 46.7 ENERGY -1.87972E+02
1l2y_csa_local_4P@041.pdb:REMARK GM 41 e 718509 m 2181 rms 2.13 %NC 53.3 ENERGY -1.99555E+02
1l2y_csa_local_4P@009.pdb:REMARK GM 9 e 85425 m 106 rms 2.46 %NC 46.7 ENERGY -1.88323E+02
1l2y_csa_local_4P@042.pdb:REMARK GM 42 e 733838 m 2244 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@010.pdb:REMARK GM 10 e 93504 m 136 rms 2.47 %NC 46.7 ENERGY -1.88418E+02
1l2y_csa_local_4P@043.pdb:REMARK GM 43 e 734270 m 2245 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@044.pdb:REMARK GM 44 e 749880 m 2301 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@045.pdb:REMARK GM 45 e 825734 m 2596 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@011.pdb:REMARK GM 11 e 107339 m 187 rms 2.62 %NC 46.7 ENERGY -1.88657E+02
1l2y_csa_local_4P@046.pdb:REMARK GM 46 e 834492 m 2627 rms 3.29 %NC 46.7 ENERGY -1.99932E+02
1l2y_csa_local_4P@012.pdb:REMARK GM 12 e 132118 m 254 rms 2.30 %NC 46.7 ENERGY -1.88697E+02
1l2y_csa_local_4P@047.pdb:REMARK GM 47 e 834654 m 2628 rms 3.32 %NC 46.7 ENERGY -1.99990E+02
1l2y_csa_local_4P@048.pdb:REMARK GM 48 e 855117 m 2704 rms 3.33 %NC 46.7 ENERGY -1.99990E+02
1l2y_csa_local_4P@013.pdb:REMARK GM 13 e 132987 m 258 rms 2.50 %NC 46.7 ENERGY -1.89893E+02
1l2y_csa_local_4P@049.pdb:REMARK GM 49 e 862601 m 2728 rms 3.32 %NC 46.7 ENERGY -1.99990E+02
1l2y_csa_local_4P@050.pdb:REMARK GM 50 e 884500 m 2809 rms 3.32 %NC 46.7 ENERGY -1.99990E+02
1l2y_csa_local_4P@014.pdb:REMARK GM 14 e 144033 m 295 rms 2.50 %NC 46.7 ENERGY -1.89895E+02
1l2y_csa_local_4P@051.pdb:REMARK GM 51 e 969941 m 2932 rms 3.32 %NC 46.7 ENERGY -1.99990E+02
1l2y_csa_local_4P@015.pdb:REMARK GM 15 e 154033 m 318 rms 2.50 %NC 46.7 ENERGY -1.89896E+02
1l2y_csa_local_4P@052.pdb:REMARK GM 52 e 1049839 m 3173 rms 3.32 %NC 46.7 ENERGY -1.99990E+02
1l2y_csa_local_4P@053.pdb:REMARK GM 53 e 1791909 m 5102 rms 3.28 %NC 46.7 ENERGY -1.99997E+02
1l2y_csa_local_4P@016.pdb:REMARK GM 16 e 161143 m 347 rms 2.50 %NC 46.7 ENERGY -1.89896E+02
1l2y_csa_local_4P@054.pdb:REMARK GM 54 e 1910416 m 5303 rms 3.28 %NC 46.7 ENERGY -2.00001E+02
1l2y_csa_local_4P@055.pdb:REMARK GM 55 e 1913638 m 5314 rms 3.28 %NC 46.7 ENERGY -2.00001E+02
1l2y_csa_local_4P@017.pdb:REMARK GM 17 e 164298 m 361 rms 2.51 %NC 53.3 ENERGY -1.90304E+02
1l2y_csa_local_4P@056.pdb:REMARK GM 56 e 1934618 m 5383 rms 3.28 %NC 46.7 ENERGY -2.00001E+02
1l2y_csa_local_4P@018.pdb:REMARK GM 18 e 191960 m 444 rms 2.51 %NC 46.7 ENERGY -1.90305E+02
1l2y_csa_local_4P@019.pdb:REMARK GM 19 e 192414 m 446 rms 2.92 %NC 46.7 ENERGY -1.91683E+02
1l2y_csa_local_4P@020.pdb:REMARK GM 20 e 194890 m 454 rms 2.51 %NC 46.7 ENERGY -1.94878E+02
1l2y_csa_local_4P@021.pdb:REMARK GM 21 e 202045 m 479 rms 2.51 %NC 46.7 ENERGY -1.94880E+02
1l2y_csa_local_4P@022.pdb:REMARK GM 22 e 211609 m 504 rms 2.51 %NC 46.7 ENERGY -1.94880E+02
1l2y_csa_local_4P@023.pdb:REMARK GM 23 e 215497 m 520 rms 2.51 %NC 46.7 ENERGY -1.94880E+02
1l2y_csa_local_4P@024.pdb:REMARK GM 24 e 219881 m 531 rms 2.51 %NC 46.7 ENERGY -1.94880E+02
1l2y_csa_local_4P@025.pdb:REMARK GM 25 e 249394 m 624 rms 2.52 %NC 46.7 ENERGY -1.95741E+02
1l2y_csa_local_4P@026.pdb:REMARK GM 26 e 263573 m 673 rms 2.23 %NC 46.7 ENERGY -1.98966E+02
1l2y_csa_local_4P@027.pdb:REMARK GM 27 e 289362 m 758 rms 2.23 %NC 46.7 ENERGY -1.98967E+02
1l2y_csa_local_4P@028.pdb:REMARK GM 28 e 293091 m 771 rms 2.23 %NC 46.7 ENERGY -1.98967E+02
1l2y_csa_local_4P@029.pdb:REMARK GM 29 e 293311 m 772 rms 2.23 %NC 46.7 ENERGY -1.98967E+02
1l2y_csa_local_4P@030.pdb:REMARK GM 30 e 296276 m 781 rms 2.23 %NC 46.7 ENERGY -1.98967E+02
1l2y_csa_local_4P@031.pdb:REMARK GM 31 e 309023 m 814 rms 2.55 %NC 46.7 ENERGY -1.99017E+02
1l2y_csa_local_4P@032.pdb:REMARK GM 32 e 334069 m 899 rms 2.55 %NC 46.7 ENERGY -1.99018E+02
1l2y_csa_local_4P@033.pdb:REMARK GM 33 e 336703 m 913 rms 2.55 %NC 46.7 ENERGY -1.99019E+02
1l2y_csa_local_4P@034.pdb:REMARK GM 34 e 344226 m 940 rms 2.55 %NC 46.7 ENERGY -1.99071E+02
1l2y_csa_local_4P@035.pdb:REMARK GM 35 e 357902 m 993 rms 2.55 %NC 46.7 ENERGY -1.99072E+02
1l2y_csa_local_4P@036.pdb:REMARK GM 36 e 372739 m 1045 rms 2.55 %NC 46.7 ENERGY -1.99072E+02
1l2y_csa_local_4P@037.pdb:REMARK GM 37 e 410399 m 1186 rms 2.55 %NC 46.7 ENERGY -1.99072E+02
1l2y_csa_local_4P@038.pdb:REMARK GM 38 e 486469 m 1431 rms 2.55 %NC 46.7 ENERGY -1.99072E+02
1l2y_csa_local_4P@039.pdb:REMARK GM 39 e 563120 m 1664 rms 2.55 %NC 46.7 ENERGY -1.99072E+02
1l2y_csa_local_4P@040.pdb:REMARK GM 40 e 567628 m 1680 rms 2.55 %NC 46.7 ENERGY -1.99072E+02
1l2y_csa_local_4P@041.pdb:REMARK GM 41 e 718509 m 2181 rms 2.13 %NC 53.3 ENERGY -1.99555E+02
1l2y_csa_local_4P@042.pdb:REMARK GM 42 e 733838 m 2244 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@043.pdb:REMARK GM 43 e 734270 m 2245 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@044.pdb:REMARK GM 44 e 749880 m 2301 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@045.pdb:REMARK GM 45 e 825734 m 2596 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@046.pdb:REMARK GM 46 e 834492 m 2627 rms 3.29 %NC 46.7 ENERGY -1.99932E+02
1l2y_csa_local_4P@047.pdb:REMARK GM 47 e 834654 m 2628 rms 3.32 %NC 46.7 ENERGY -1.99990E+02
1l2y_csa_local_4P@048.pdb:REMARK GM 48 e 855117 m 2704 rms 3.33 %NC 46.7 ENERGY -1.99990E+02
1l2y_csa_local_4P@049.pdb:REMARK GM 49 e 862601 m 2728 rms 3.32 %NC 46.7 ENERGY -1.99990E+02
1l2y_csa_local_4P@050.pdb:REMARK GM 50 e 884500 m 2809 rms 3.32 %NC 46.7 ENERGY -1.99990E+02
1l2y_csa_local_4P@051.pdb:REMARK GM 51 e 969941 m 2932 rms 3.32 %NC 46.7 ENERGY -1.99990E+02
1l2y_csa_local_4P@052.pdb:REMARK GM 52 e 1049839 m 3173 rms 3.32 %NC 46.7 ENERGY -1.99990E+02
1l2y_csa_local_4P@053.pdb:REMARK GM 53 e 1791909 m 5102 rms 3.28 %NC 46.7 ENERGY -1.99997E+02
1l2y_csa_local_4P@054.pdb:REMARK GM 54 e 1910416 m 5303 rms 3.28 %NC 46.7 ENERGY -2.00001E+02
1l2y_csa_local_4P@055.pdb:REMARK GM 55 e 1913638 m 5314 rms 3.28 %NC 46.7 ENERGY -2.00001E+02
1l2y_csa_local_4P@056.pdb:REMARK GM 56 e 1934618 m 5383 rms 3.28 %NC 46.7 ENERGY -2.00001E+02
